PNNL Careers

Post Doctorate RA - Hydrogen Storage and liquid carriers (theory)


Job Description

Job ID: 307960
Full/Part Time: Full-Time
Regular/Temporary: Temporary

Job Description

New postdoc needed in the Catalysis Science Group for computational research in catalysis and characterization of hydrogen storage materials.

Characterization of liquid phase hydrogen storage materials. Computational design and characterization of molecular complexes, kinetic, thermochemical, and mechanistic studies, leading to new liquid phase energy storage materials.

Equal Employment Opportunity

Battelle Memorial Institute (BMI) at Pacific Northwest National Laboratory (PNNL) is an Affirmative Action/Equal Opportunity Employer and supports diversity in the workplace. All employment decisions are made without regard to race, color, religion, sex, national origin, age, disability, veteran status, marital or family status, sexual orientation, gender identity, or genetic information. All BMI staff must be able to demonstrate the legal right to work in the United States. BMI is an E-Verify employer. Learn more at

Minimum Qualifications

Candidates must have received a PhD within the past five years (60 months) or within the next 8 months from an accredited college or university.

Preferred Qualifications

Experience in DFT calculations and molecular dynamics simulations for molecular and extended systems. Excellent oral and written communications skills are mandatory. Proficiency with standard computational chemistry codes, basic programming for data analysis and use of computer clusters or high performance computing platforms essential.

Ph.D. in theoretical or computational chemistry or material science.

The perfect candidate would have these 3 characteristics:
Expertise in QM, QM/MM and AIMD
Experience in programing and program compilation
Independent and highly motivated

Organization and Job ID

Job ID: 307960
Directorate: Physical & Computational Sciences
Division: Physical Sciences
Group: Catalysis Science